SCHEMBL11590979

SCHEMBL11590979

CC(=O)N[C@@H]1[C@@H](OC(C)C(=O)OC(c2ccccc2)c2ccccc2)[C@H](OCc2ccccc2)[C@@H](COS(=O)(=O)c2ccc(C)cc2)O[C@H]1O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.37
▸ TP53 P04637 2/20 0.35
▸ MDM2 Q00987 2/20 0.35
▸ MDM4 O15151 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ MMP12 P39900 3/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CA1 P00915 4/20 0.33
▸ CA2 P00918 4/20 0.33
▸ LMNA P02545 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ TNF P01375 1/20 0.32
▸ TACR2 P21452 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11590064 0.85 MAPK1 (0.50) MAPK1TP53MDM2MMP12L3MBTL1
SCHEMBL11591229 0.84 MAPK1 (0.34) MAPK1MMP12L3MBTL1CA1CA2
SCHEMBL28315418 0.77 FGF1 (0.41) CA1CA2LMNAMAPTTNF
SCHEMBL9472134 0.76 MAPK1 (0.54) MAPK1TP53MDM2MMP12L3MBTL1
SCHEMBL11193105 0.74 LMNA (0.43) TP53MDM2MDM4HSP90AA1HSP90AB1
SCHEMBL11170170 0.74 MAPK1 (0.65) MAPK1MMP12L3MBTL1POLBTACR2
SCHEMBL11170361 0.72 MAPK1 (0.50) MAPK1TP53MDM2MDM4HSP90AA1
SCHEMBL9472679 0.72 TNF (0.41) MAPK1TP53MDM2MDM4HSP90AA1
SCHEMBL8720284 0.71 CA1 (0.49) CA1CA2TACR2
SCHEMBL14410762 0.71 FGF1 (0.45) L3MBTL1CA1CA2LMNAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4101536-A IMMUNOADJUVANT, ANTITUMOR DAIICHI SEIYAKU CO., LTD. (JP) 1978-07-18 — — US disclosed
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